1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine

C11H23NO — CID 146244471

IUPAC1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CCCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)12-7-5-6-11(12)8-13-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyPSWMIFAHCPOTHC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.28
Rot. Bonds4

About 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine

1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 146244471) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID146244471
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OCC1CCCN1C(C)C
InChIInChI=1S/C11H23NO/c1-9(2)12-7-5-6-11(12)8-13-10(3)4/h9-11H,5-8H2,1-4H3
InChIKeyPSWMIFAHCPOTHC-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine (CID 146244471) is 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OCC1CCCN1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is PSWMIFAHCPOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)12-7-5-6-11(12)8-13-10(3)4/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine?
1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 146244471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).